(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C14H16ClN5O — CID 166214756

IUPAC(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCC(c3ncc[nH]3)CC2)n1
InChIInChI=1S/C14H16ClN5O/c1-9-18-8-11(15)12(19-9)14(21)20-6-2-10(3-7-20)13-16-4-5-17-13/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyJRUSIJAUFPZBHT-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.18
Rot. Bonds2

About (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 166214756) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID166214756
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCC(c3ncc[nH]3)CC2)n1
InChIInChI=1S/C14H16ClN5O/c1-9-18-8-11(15)12(19-9)14(21)20-6-2-10(3-7-20)13-16-4-5-17-13/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyJRUSIJAUFPZBHT-UHFFFAOYSA-N
XLogP2.18
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 166214756) is (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is Cc1ncc(Cl)c(C(=O)N2CCC(c3ncc[nH]3)CC2)n1.
What is the InChIKey of (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is JRUSIJAUFPZBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-9-18-8-11(15)12(19-9)14(21)20-6-2-10(3-7-20)13-16-4-5-17-13/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 305.77 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 166214756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).